azane; 5-[1-(3-carboxy-4-oxidanyl-phenyl)heptyl]-2-oxidanyl-benzoic acid

Systemtic Name: azane; 5-[1-(3-carboxy-4-oxidanyl-phenyl)heptyl]-2-oxidanyl-benzoic acid Openeye Name: ammonia; 5-[1-(3-carboxy-4-hydroxy-phenyl)heptyl]-2-hydroxy-benzoic acid CAS Name: ammonia; 5-[1-(3-carboxy-4-hydroxyphenyl)heptyl]-2-hydroxybenzoic acid IUPAC Name: azane; 5-[1-(3-carboxy-4-hydroxyphenyl)heptyl]-2-hydroxybenzoic acid Traditional Name: ammonia; 5-[1-(3-carboxy-4-hydroxy-phenyl)heptyl]-2-hydroxy-benzoic acid Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CC(=C(C=C1)O)C(=O)O)C2=CC(=C(C=C2)O)C(=O)O.N

Isomeric SMILES

CCCCCCC(C1=CC(=C(C=C1)O)C(=O)O)C2=CC(=C(C=C2)O)C(=O)O.N

InChI

InChI=1S/C21H24O6.H3N/c1-2-3-4-5-6-15(13-7-9-18(22)16(11-13)20(24)25)14-8-10-19(23)17(12-14)21(26)27;/h7-12,15,22-23H,2-6H2,1H3,(H,24,25)(H,26,27);1H3